SCHEMBL2543191

SCHEMBL2543191

CCOC(=O)c1sc(-n2cnc3ccc(OCc4ccccc4)cc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
DHODH Q02127 4/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PLK1 P53350 1/20 0.41
MAOB P27338 3/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
CDC7 O00311 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2539004 0.90 PLK1 (0.45) PLK1PPARG
SCHEMBL2537209 0.89 PLK1 (0.51) PLK1MAOBPPARG
SCHEMBL2540389 0.86 TRPM8 (0.40) MEN1KMT2ATRPM8DHODHPDE4A
SCHEMBL2540393 0.86 TRPM8 (0.40) MEN1KMT2ATRPM8DHODHPDE4A
SCHEMBL2546390 0.86 TRPM8 (0.40) MEN1KMT2ATRPM8DHODHPDE4A
SCHEMBL2540391 0.84 TRPM8 (0.39) MEN1KMT2ATRPM8DHODHPDE4A
SCHEMBL3892448 0.84 DHODH (0.53) MEN1KMT2ADHODHALDH1A1HSD17B10
SCHEMBL2540431 0.84 TRPM8 (0.46) MEN1KMT2ATRPM8DHODHPDE4A
SCHEMBL2545221 0.83 TRPM8 (0.44) TRPM8DHODHPDE4APDE4BPDE4C
SCHEMBL3893539 0.81 ALDH1A1 (0.52) MEN1KMT2ATRPM8DHODHALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 MEN1 557/4885HSP90AA1 2278/4885KMT2A 3383/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.